UCSF

ZINC31965893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 5.95 -47.16 1 7 -1 108 313.355 8
Lo Low (pH 4.5-6) 1.37 4.83 -14.27 2 7 0 106 314.363 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )